#------------------------------------------------------------------------------
#$Date: 2016-03-23 21:43:14 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179455 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/52/4335286.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4335286
loop_
_publ_author_name
'Xinsong Lin'
'Arthur Mar'
_publ_contact_author_address
; Department of Chemistry
  University of Alberta
  Edmonton, AB
  Canada  T6G 2G2
;
_publ_contact_author_email       arthur.mar@ualberta.ca
_publ_contact_author_fax         '(780) 492-8231'
_publ_contact_author_name        'Dr. Arthur Mar'
_publ_contact_author_phone       '(780) 492-5592'
_publ_section_title
;
 Homologous Series of Rare-Earth Zinc Arsenides REZn2-xAs2.n(REAs) (RE=
 La-Nd, Sm;n= 3, 4, 5, 6)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7261
_journal_page_last               7270
_journal_paper_doi               10.1021/ic400933v
_journal_volume                  52
_journal_year                    2013
_chemical_formula_structural     'Ce6 Mn0.43 Zn1.28 As7'
_chemical_formula_sum            'As7 Ce6 Mn0.43 Zn1.28'
_chemical_formula_weight         1472.46
_chemical_name_common            'cerium zinc arsenide (6/0.4/1.3/7)'
_chemical_name_systematic        'cerium zinc arsenide (6/0.4/1.3/7)'
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   4.2821(8)
_cell_length_b                   4.2821(8)
_cell_length_c                   73.620(14)
_cell_measurement_reflns_used    786
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      29.86
_cell_measurement_theta_min      5.82
_cell_volume                     1169.1(4)
_computing_cell_refinement       'Bruker SAINT 7.68A (Bruker, 2009)'
_computing_data_collection       'Bruker SMART 5.054 (Bruker, 1999)'
_computing_data_reduction        'Bruker SAINT 7.68A'
_computing_molecular_graphics    'ATOMS 5.1 (Dowty, 1999)'
_computing_publication_material  'Bruker SHELXTL 6.12'
_computing_structure_refinement  'Bruker SHELXTL 6.12'
_computing_structure_solution    'Bruker SHELXTL 6.12'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker PLATFORM/SMART APEX II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0646
_diffrn_reflns_av_sigmaI/netI    0.0321
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       110
_diffrn_reflns_limit_l_min       -111
_diffrn_reflns_number            5613
_diffrn_reflns_theta_full        33.24
_diffrn_reflns_theta_max         33.24
_diffrn_reflns_theta_min         1.66
_exptl_absorpt_coefficient_mu    34.114
_exptl_absorpt_correction_T_max  0.3591
_exptl_absorpt_correction_T_min  0.2142
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'Bruker SHELXTL 6.12 (Sheldrick, 2001)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    6.274
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1884
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_refine_diff_density_max         5.573
_refine_diff_density_min         -2.024
_refine_diff_density_rms         0.392
_refine_ls_extinction_coef       0.00015(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_matrix_type           full
_refine_ls_number_parameters     25
_refine_ls_number_reflns         685
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0646
_refine_ls_R_factor_gt           0.0292
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0251P)²+7.9905P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0615
_refine_ls_wR_factor_ref         0.0721
_reflns_number_gt                437
_reflns_number_total             685
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic400933v_si_002_7.cif
_cod_data_source_block           ce6mn0.4zn1.3as7
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_database_code               4335286
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'y+2/3, x+1/3, -z+1/3'
'x-y+2/3, -y+1/3, -z+1/3'
'-x+2/3, -x+y+1/3, -z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'y+1/3, x+2/3, -z+2/3'
'x-y+1/3, -y+2/3, -z+2/3'
'-x+1/3, -x+y+2/3, -z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z'
'-x+y, y, z'
'x, x-y, z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-y+2/3, -x+1/3, z+1/3'
'-x+y+2/3, y+1/3, z+1/3'
'x+2/3, x-y+1/3, z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
'-y+1/3, -x+2/3, z+2/3'
'-x+y+1/3, y+2/3, z+2/3'
'x+1/3, x-y+2/3, z+2/3'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ce1 Ce 0.0000 0.0000 0.071355(10) 0.01044(18) Uani 1 6 d S
Ce2 Ce 0.0000 0.0000 0.309529(11) 0.01068(16) Uani 1 6 d S
Ce3 Ce 0.0000 0.0000 0.452176(11) 0.01334(19) Uani 1 6 d S
Mn Mn 0.0000 0.0000 0.17898(3) 0.0169(4) Uani 0.21 6 d SP
Zn Zn 0.0000 0.0000 0.17898(3) 0.0169(4) Uani 0.64 6 d SP
As1 As 0.0000 0.0000 0.144111(19) 0.0133(3) Uani 1 6 d S
As2 As 0.0000 0.0000 0.237380(18) 0.0106(3) Uani 1 6 d S
As3 As 0.0000 0.0000 0.381251(17) 0.0108(3) Uani 1 6 d S
As4 As 0.0000 0.0000 0.0000 0.0109(4) Uani 1 12 d S
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Mn Mn 0.3368 0.7283 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
As As 0.0499 2.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ce Ce -0.2486 2.6331 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
As3 Ce1 As3 90.49(3) 13_444 13_554
As3 Ce1 As3 90.49(3) 13_444 13_544
As3 Ce1 As3 90.49(3) 13_554 13_544
As3 Ce1 As2 178.69(4) 13_444 25
As3 Ce1 As2 90.43(2) 13_554 25
As3 Ce1 As2 90.43(2) 13_544 25
As3 Ce1 As2 90.43(2) 13_444 25_445
As3 Ce1 As2 178.69(4) 13_554 25_445
As3 Ce1 As2 90.43(2) 13_544 25_445
As2 Ce1 As2 88.63(3) 25 25_445
As3 Ce1 As2 90.43(2) 13_444 25_455
As3 Ce1 As2 90.43(2) 13_554 25_455
As3 Ce1 As2 178.69(4) 13_544 25_455
As2 Ce1 As2 88.63(3) 25 25_455
As2 Ce1 As2 88.63(3) 25_445 25_455
As4 Ce2 As4 89.90(2) 7 7_445
As4 Ce2 As4 89.90(2) 7 7_455
As4 Ce2 As4 89.90(2) 7_445 7_455
As4 Ce2 As3 179.65(3) 7 31_445
As4 Ce2 As3 90.343(17) 7_445 31_445
As4 Ce2 As3 90.344(17) 7_455 31_445
As4 Ce2 As3 90.343(17) 7 31
As4 Ce2 As3 179.65(3) 7_445 31
As4 Ce2 As3 90.344(17) 7_455 31
As3 Ce2 As3 89.41(3) 31_445 31
As4 Ce2 As3 90.344(17) 7 31_545
As4 Ce2 As3 90.344(17) 7_445 31_545
As4 Ce2 As3 179.65(3) 7_455 31_545
As3 Ce2 As3 89.41(3) 31_445 31_545
As3 Ce2 As3 89.41(3) 31 31_545
As2 Ce3 As2 91.38(3) 31_445 31
As2 Ce3 As2 91.38(3) 31_445 31_545
As2 Ce3 As2 91.38(3) 31 31_545
As2 Ce3 As1 177.32(4) 31_445 7
As2 Ce3 As1 90.49(2) 31 7
As2 Ce3 As1 90.49(2) 31_545 7
As2 Ce3 As1 90.49(2) 31_445 7_445
As2 Ce3 As1 177.32(4) 31 7_445
As2 Ce3 As1 90.49(2) 31_545 7_445
As1 Ce3 As1 87.57(4) 7 7_445
As2 Ce3 As1 90.49(2) 31_445 7_455
As2 Ce3 As1 90.49(2) 31 7_455
As2 Ce3 As1 177.32(4) 31_545 7_455
As1 Ce3 As1 87.57(4) 7 7_455
As1 Ce3 As1 87.57(4) 7_445 7_455
As2 Ce3 Mn 133.877(14) 31_445 31
As2 Ce3 Mn 80.87(4) 31 31
As2 Ce3 Mn 133.876(15) 31_545 31
As1 Ce3 Mn 44.653(15) 7 31
As1 Ce3 Mn 96.44(4) 7_445 31
As1 Ce3 Mn 44.654(15) 7_455 31
As2 Ce3 Zn 133.877(14) 31_445 31
As2 Ce3 Zn 80.87(4) 31 31
As2 Ce3 Zn 133.876(15) 31_545 31
As1 Ce3 Zn 44.653(15) 7 31
As1 Ce3 Zn 96.44(4) 7_445 31
As1 Ce3 Zn 44.654(15) 7_455 31
Mn Ce3 Zn 0.00(5) 31 31
As2 Ce3 Mn 80.87(4) 31_445 31_445
As2 Ce3 Mn 133.877(14) 31 31_445
As2 Ce3 Mn 133.876(14) 31_545 31_445
As1 Ce3 Mn 96.44(4) 7 31_445
As1 Ce3 Mn 44.653(15) 7_445 31_445
As1 Ce3 Mn 44.654(15) 7_455 31_445
Mn Ce3 Mn 73.04(4) 31 31_445
Zn Ce3 Mn 73.04(4) 31 31_445
As2 Ce3 Zn 80.87(4) 31_445 31_445
As2 Ce3 Zn 133.877(14) 31 31_445
As2 Ce3 Zn 133.876(14) 31_545 31_445
As1 Ce3 Zn 96.44(4) 7 31_445
As1 Ce3 Zn 44.653(15) 7_445 31_445
As1 Ce3 Zn 44.654(15) 7_455 31_445
Mn Ce3 Zn 73.04(4) 31 31_445
Zn Ce3 Zn 73.04(4) 31 31_445
Mn Ce3 Zn 0.00(5) 31_445 31_445
As2 Ce3 Mn 133.876(14) 31_445 31_545
As2 Ce3 Mn 133.876(15) 31 31_545
As2 Ce3 Mn 80.87(4) 31_545 31_545
As1 Ce3 Mn 44.654(15) 7 31_545
As1 Ce3 Mn 44.654(15) 7_445 31_545
As1 Ce3 Mn 96.44(4) 7_455 31_545
Mn Ce3 Mn 73.04(4) 31 31_545
Zn Ce3 Mn 73.04(4) 31 31_545
Mn Ce3 Mn 73.04(4) 31_445 31_545
Zn Ce3 Mn 73.04(4) 31_445 31_545
As2 Ce3 Zn 133.876(14) 31_445 31_545
As2 Ce3 Zn 133.876(15) 31 31_545
As2 Ce3 Zn 80.87(4) 31_545 31_545
As1 Ce3 Zn 44.654(15) 7 31_545
As1 Ce3 Zn 44.654(15) 7_445 31_545
As1 Ce3 Zn 96.44(4) 7_455 31_545
Mn Ce3 Zn 73.04(4) 31 31_545
Zn Ce3 Zn 73.04(4) 31 31_545
Mn Ce3 Zn 73.04(4) 31_445 31_545
Zn Ce3 Zn 73.04(4) 31_445 31_545
Mn Ce3 Zn 0.00(5) 31_545 31_545
As1 Mn As1 106.96(5) . 25
As1 Mn As1 106.96(5) . 25_445
As1 Mn As1 111.86(5) 25 25_445
As1 Mn As1 106.96(5) . 25_455
As1 Mn As1 111.86(5) 25 25_455
As1 Mn As1 111.86(5) 25_445 25_455
As1 Mn Zn 53.74(6) . 25_445
As1 Mn Zn 123.93(3) 25 25_445
As1 Mn Zn 53.22(4) 25_445 25_445
As1 Mn Zn 123.93(3) 25_455 25_445
As1 Mn Mn 53.74(6) . 25_445
As1 Mn Mn 123.93(3) 25 25_445
As1 Mn Mn 53.22(4) 25_445 25_445
As1 Mn Mn 123.93(3) 25_455 25_445
Zn Mn Mn 0.00(6) 25_445 25_445
As1 Mn Zn 53.74(6) . 25
As1 Mn Zn 53.22(4) 25 25
As1 Mn Zn 123.93(3) 25_445 25
As1 Mn Zn 123.93(3) 25_455 25
Zn Mn Zn 88.58(9) 25_445 25
Mn Mn Zn 88.58(9) 25_445 25
As1 Mn Mn 53.74(6) . 25
As1 Mn Mn 53.22(4) 25 25
As1 Mn Mn 123.93(3) 25_445 25
As1 Mn Mn 123.93(3) 25_455 25
Zn Mn Mn 88.58(9) 25_445 25
Mn Mn Mn 88.58(9) 25_445 25
Zn Mn Mn 0.00(6) 25 25
As1 Mn Mn 53.74(6) . 25_455
As1 Mn Mn 123.93(3) 25 25_455
As1 Mn Mn 123.93(3) 25_445 25_455
As1 Mn Mn 53.22(4) 25_455 25_455
Zn Mn Mn 88.58(9) 25_445 25_455
Mn Mn Mn 88.58(9) 25_445 25_455
Zn Mn Mn 88.58(9) 25 25_455
Mn Mn Mn 88.58(9) 25 25_455
As1 Mn Zn 53.74(6) . 25_455
As1 Mn Zn 123.93(3) 25 25_455
As1 Mn Zn 123.93(3) 25_445 25_455
As1 Mn Zn 53.22(4) 25_455 25_455
Zn Mn Zn 88.58(9) 25_445 25_455
Mn Mn Zn 88.58(9) 25_445 25_455
Zn Mn Zn 88.58(9) 25 25_455
Mn Mn Zn 88.58(9) 25 25_455
Mn Mn Zn 0.00(6) 25_455 25_455
As1 Mn Ce3 136.59(3) . 31
As1 Mn Ce3 57.28(4) 25 31
As1 Mn Ce3 116.45(8) 25_445 31
As1 Mn Ce3 57.28(4) 25_455 31
Zn Mn Ce3 169.67(9) 25_445 31
Mn Mn Ce3 169.67(9) 25_445 31
Zn Mn Ce3 98.78(4) 25 31
Mn Mn Ce3 98.78(4) 25 31
Mn Mn Ce3 98.78(4) 25_455 31
Zn Mn Ce3 98.78(4) 25_455 31
As1 Mn Ce3 136.59(3) . 31_445
As1 Mn Ce3 116.45(8) 25 31_445
As1 Mn Ce3 57.28(4) 25_445 31_445
As1 Mn Ce3 57.28(4) 25_455 31_445
Zn Mn Ce3 98.78(4) 25_445 31_445
Mn Mn Ce3 98.78(4) 25_445 31_445
Zn Mn Ce3 169.67(9) 25 31_445
Mn Mn Ce3 169.67(9) 25 31_445
Mn Mn Ce3 98.78(4) 25_455 31_445
Zn Mn Ce3 98.78(4) 25_455 31_445
Ce3 Mn Ce3 73.04(4) 31 31_445
Mn As1 Zn 73.04(5) . 25
Mn As1 Mn 73.04(5) . 25
Zn As1 Mn 0.00(9) 25 25
Mn As1 Zn 73.04(5) . 25_445
Zn As1 Zn 111.86(5) 25 25_445
Mn As1 Zn 111.86(5) 25 25_445
Mn As1 Mn 73.04(5) . 25_445
Zn As1 Mn 111.86(5) 25 25_445
Mn As1 Mn 111.86(5) 25 25_445
Zn As1 Mn 0.00(9) 25_445 25_445
Mn As1 Zn 73.04(5) . 25_455
Zn As1 Zn 111.86(5) 25 25_455
Mn As1 Zn 111.86(5) 25 25_455
Zn As1 Zn 111.86(5) 25_445 25_455
Mn As1 Zn 111.86(5) 25_445 25_455
Mn As1 Mn 73.04(5) . 25_455
Zn As1 Mn 111.86(5) 25 25_455
Mn As1 Mn 111.86(5) 25 25_455
Zn As1 Mn 111.86(5) 25_445 25_455
Mn As1 Mn 111.86(5) 25_445 25_455
Zn As1 Mn 0.00(9) 25_455 25_455
Mn As1 Ce3 126.96(2) . 13_444
Zn As1 Ce3 160.00(7) 25 13_444
Mn As1 Ce3 160.00(7) 25 13_444
Zn As1 Ce3 78.06(3) 25_445 13_444
Mn As1 Ce3 78.06(3) 25_445 13_444
Zn As1 Ce3 78.07(3) 25_455 13_444
Mn As1 Ce3 78.07(3) 25_455 13_444
Mn As1 Ce3 126.96(2) . 13_554
Zn As1 Ce3 78.06(3) 25 13_554
Mn As1 Ce3 78.06(3) 25 13_554
Zn As1 Ce3 160.00(7) 25_445 13_554
Mn As1 Ce3 160.00(7) 25_445 13_554
Zn As1 Ce3 78.07(3) 25_455 13_554
Mn As1 Ce3 78.07(3) 25_455 13_554
Ce3 As1 Ce3 87.58(4) 13_444 13_554
Mn As1 Ce3 126.96(2) . 13_544
Zn As1 Ce3 78.07(3) 25 13_544
Mn As1 Ce3 78.07(3) 25 13_544
Zn As1 Ce3 78.07(3) 25_445 13_544
Mn As1 Ce3 78.07(3) 25_445 13_544
Zn As1 Ce3 160.00(7) 25_455 13_544
Mn As1 Ce3 160.00(7) 25_455 13_544
Ce3 As1 Ce3 87.58(4) 13_444 13_544
Ce3 As1 Ce3 87.58(4) 13_554 13_544
Ce3 As2 Ce3 91.38(3) 31_445 31
Ce3 As2 Ce3 91.38(3) 31_445 31_545
Ce3 As2 Ce3 91.38(3) 31 31_545
Ce3 As2 Ce1 178.06(4) 31_445 25
Ce3 As2 Ce1 89.975(16) 31 25
Ce3 As2 Ce1 89.976(16) 31_545 25
Ce3 As2 Ce1 89.975(16) 31_445 25_445
Ce3 As2 Ce1 178.06(4) 31 25_445
Ce3 As2 Ce1 89.976(16) 31_545 25_445
Ce1 As2 Ce1 88.64(3) 25 25_445
Ce3 As2 Ce1 89.976(16) 31_445 25_455
Ce3 As2 Ce1 89.976(16) 31 25_455
Ce3 As2 Ce1 178.06(4) 31_545 25_455
Ce1 As2 Ce1 88.64(3) 25 25_455
Ce1 As2 Ce1 88.64(3) 25_445 25_455
Ce1 As3 Ce1 90.49(3) 7 7_445
Ce1 As3 Ce1 90.49(3) 7 7_455
Ce1 As3 Ce1 90.49(3) 7_445 7_455
Ce1 As3 Ce2 179.23(4) 7 31_445
Ce1 As3 Ce2 90.053(16) 7_445 31_445
Ce1 As3 Ce2 90.053(16) 7_455 31_445
Ce1 As3 Ce2 90.053(16) 7 31
Ce1 As3 Ce2 179.23(4) 7_445 31
Ce1 As3 Ce2 90.053(17) 7_455 31
Ce2 As3 Ce2 89.40(3) 31_445 31
Ce1 As3 Ce2 90.053(17) 7 31_545
Ce1 As3 Ce2 90.053(17) 7_445 31_545
Ce1 As3 Ce2 179.23(4) 7_455 31_545
Ce2 As3 Ce2 89.40(3) 31_445 31_545
Ce2 As3 Ce2 89.40(3) 31 31_545
Ce2 As4 Ce2 180.00(2) 25 13_444
Ce2 As4 Ce2 89.91(2) 25 25_445
Ce2 As4 Ce2 90.09(2) 13_444 25_445
Ce2 As4 Ce2 90.09(2) 25 13_554
Ce2 As4 Ce2 89.91(2) 13_444 13_554
Ce2 As4 Ce2 180.00(2) 25_445 13_554
Ce2 As4 Ce2 90.09(2) 25 13_544
Ce2 As4 Ce2 89.91(2) 13_444 13_544
Ce2 As4 Ce2 90.09(2) 25_445 13_544
Ce2 As4 Ce2 89.91(2) 13_554 13_544
Ce2 As4 Ce2 89.91(2) 25 25_455
Ce2 As4 Ce2 90.09(2) 13_444 25_455
Ce2 As4 Ce2 89.91(2) 25_445 25_455
Ce2 As4 Ce2 90.09(2) 13_554 25_455
Ce2 As4 Ce2 180.00(2) 13_544 25_455
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ce1 As3 3.0150(9) 13_444
Ce1 As3 3.0150(9) 13_554
Ce1 As3 3.0151(9) 13_544
Ce1 As2 3.0646(10) 25
Ce1 As2 3.0646(10) 25_445
Ce1 As2 3.0647(10) 25_455
Ce2 As4 3.0305(6) 7
Ce2 As4 3.0305(6) 7_445
Ce2 As4 3.0305(6) 7_455
Ce2 As3 3.0436(10) 31_445
Ce2 As3 3.0436(10) 31
Ce2 As3 3.0437(10) 31_545
Ce3 As2 2.9920(9) 31_445
Ce3 As2 2.9920(9) 31
Ce3 As2 2.9921(9) 31_545
Ce3 As1 3.0941(11) 7
Ce3 As1 3.0941(11) 7_445
Ce3 As1 3.0941(11) 7_455
Ce3 Mn 3.5977(17) 31
Ce3 Zn 3.5977(17) 31
Ce3 Mn 3.5977(17) 31_445
Ce3 Zn 3.5977(17) 31_445
Ce3 Mn 3.5977(17) 31_545
Ce3 Zn 3.5977(17) 31_545
Mn As1 2.567(3) .
Mn As1 2.5847(9) 25
Mn As1 2.5847(9) 25_445
Mn As1 2.5847(9) 25_455
Mn Zn 3.066(3) 25_445
Mn Mn 3.066(3) 25_445
Mn Zn 3.066(3) 25
Mn Mn 3.066(3) 25
Mn Mn 3.066(3) 25_455
Mn Zn 3.066(3) 25_455
Mn Ce3 3.5977(17) 31
Mn Ce3 3.5977(17) 31_445
As1 Zn 2.5846(9) 25
As1 Mn 2.5846(9) 25
As1 Zn 2.5846(9) 25_445
As1 Mn 2.5846(9) 25_445
As1 Zn 2.5847(9) 25_455
As1 Mn 2.5847(9) 25_455
As1 Ce3 3.0939(11) 13_444
As1 Ce3 3.0939(10) 13_554
As1 Ce3 3.0940(11) 13_544
As2 Ce3 2.9921(9) 31_445
As2 Ce3 2.9921(9) 31
As2 Ce3 2.9921(9) 31_545
As2 Ce1 3.0645(10) 25
As2 Ce1 3.0645(10) 25_445
As2 Ce1 3.0646(10) 25_455
As3 Ce1 3.0151(10) 7
As3 Ce1 3.0151(10) 7_445
As3 Ce1 3.0151(10) 7_455
As3 Ce2 3.0439(10) 31_445
As3 Ce2 3.0439(10) 31
As3 Ce2 3.0439(10) 31_545
As4 Ce2 3.0303(6) 25
As4 Ce2 3.0303(6) 13_444
As4 Ce2 3.0303(6) 25_445
As4 Ce2 3.0303(6) 13_554
As4 Ce2 3.0304(6) 13_544
As4 Ce2 3.0304(6) 25_455
